6-(2-propylphenothiazin-10-yl)-4-pyrimidin-2-yl-nonane-4-sulfonic acid

Systemtic Name: 6-(2-propylphenothiazin-10-yl)-4-pyrimidin-2-yl-nonane-4-sulfonic acid Openeye Name: 6-(2-propylphenothiazin-10-yl)-4-pyrimidin-2-yl-nonane-4-sulfonic acid CAS Name: 6-(2-propyl-10-phenothiazinyl)-4-(2-pyrimidinyl)-4-nonanesulfonic acid IUPAC Name: 6-(2-propylphenothiazin-10-yl)-4-pyrimidin-2-ylnonane-4-sulfonic acid Traditional Name: 6-(2-propylphenothiazin-10-yl)-4-(2-pyrimidyl)nonane-4-sulfonic acid Formula: C28H35N3O3S2 MolecularWeight: 525.7258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(CCC)CC(CCC)(C4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(CCC)CC(CCC)(C4=NC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C28H35N3O3S2/c1-4-10-21-14-15-26-24(19-21)31(23-12-7-8-13-25(23)35-26)22(11-5-2)20-28(16-6-3,36(32,33)34)27-29-17-9-18-30-27/h7-9,12-15,17-19,22H,4-6,10-11,16,20H2,1-3H3,(H,32,33,34)